chempirical

6-Methylpyridine-2,3-dicarboxylic acid

C8H7NO4CAS 53636-70-7181.15 g/mol

Open in Covalent MOL file
NOOHOHO
Carboxylic acid

Properties

Molecular formula
C8H7NO4
Molar mass
181.15 g/mol
Exact mass
181.0375 Da
logP
0.79Crippen estimate
Polar surface area
87.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
53636-70-7
SMILES
CC1=NC(=C(C=C1)C(=O)O)C(=O)O
InChIKey
PHQBKLKZIXCRIX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO4/c1-4-2-3-5(7(10)11)6(9-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)

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Names and synonyms

1 names
  • 6-Methyl-2,3-pyridinedicarboxylic acid

Work with 6-Methylpyridine-2,3-dicarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Hydroxy-6-methylnicotinic acid38116-61-967 % similar 2-Chloro-6-methylnicotinic acid30529-70-565 % similar 6-Methylpicolinic acid934-60-151 % similar 4-Methylphthalic acid4316-23-850 % similar Quinolinic acid339155-13-449 % similar Quinolinic acid89-00-949 % similar 2-Methyl-quinoline-4-carboxylic acid634-38-848 % similar 2-Methyl-6-quinolinecarboxylic acid635-80-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Aminoterephthalic acid10312-55-7 (4-Nitrophenyl)acetic acid104-03-0 2-Methyl-6-nitrobenzoic acid13506-76-8 2-Methoxy-4-nitrobenzaldehyde136507-15-8 1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-6 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-7 5-Methyl 2,5-pyridinedicarboxylate17874-79-2 3-Nitrophenylacetic acid1877-73-2

Elsewhere

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